4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[5-cyano-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(5-cyano-8-isobutyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C26H34N5OS+ MolecularWeight: 464.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CC(C)CC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C26H33N5OS/c1-18(2)14-23-22-17-32-26(3,4)15-20(22)21(16-27)24(29-23)30-10-12-31(13-11-30)25(33)28-19-8-6-5-7-9-19/h5-9,18H,10-15,17H2,1-4H3,(H,28,33)/p+1